N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-(5-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)-2-ethoxy-ethanamide

Systemtic Name: N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-(5-chloranyl-3-oxidanylidene-1H-isoindol-2-yl)-2-ethoxy-ethanamide Openeye Name: N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-(6-chloro-1-oxo-isoindolin-2-yl)-2-ethoxy-acetamide CAS Name: N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-ethoxyacetamide IUPAC Name: N-[[4-carbamimidoyl-2-(ethylamino)phenyl]methyl]-2-(5-chloro-3-oxo-1H-isoindol-2-yl)-2-ethoxyacetamide Traditional Name: N-[4-amidino-2-(ethylamino)benzyl]-2-(6-chloro-1-keto-isoindolin-2-yl)-2-ethoxy-acetamide Formula: C22H26ClN5O3 MolecularWeight: 443.92654

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)C(=N)N)CNC(=O)C(N2CC3=C(C2=O)C=C(C=C3)Cl)OCC

Isomeric SMILES

CCNC1=C(C=CC(=C1)C(=N)N)CNC(=O)C(N2CC3=C(C2=O)C=C(C=C3)Cl)OCC

InChI

InChI=1S/C22H26ClN5O3/c1-3-26-18-9-13(19(24)25)5-6-14(18)11-27-20(29)22(31-4-2)28-12-15-7-8-16(23)10-17(15)21(28)30/h5-10,22,26H,3-4,11-12H2,1-2H3,(H3,24,25)(H,27,29)